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5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfo-phenyl]vinyl]benzenesulfonic acid structure

5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfo-phenyl]vinyl]benzenesulfonic acid

TL;DR: 5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfo-phenyl]vinyl]benzenesulfonic acid (CAS 6276-97-7) is a chemical compound with molecular formula C42H30N6O8S4 and molecular weight 874.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfophenyl]ethenyl]benzenesulfonic acid

Also Known As: 5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfo-phenyl]vinyl]benzenesulfonic acid, 5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfophenyl]ethenyl]benzenesulfonic acid, Benzenesulfonic acid, 2,2'-[(E)-1,2-ethenediyl]bis[5-[3-[4-(6-methyl-2-benzothiazolyl)phenyl]-2-oxadiaziridinyl]-

CAS: 6276-97-7
Molecular Formula C42H30N6O8S4
Molecular Weight 874.10 g/mol
LogP 9.86944
Topological Polar Surface Area 180.52 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 10
Rotatable Bonds 10
Exact Mass 874.10077
Heavy Atoms 60
Complexity 3283.3843

Chemical Identifiers

CAS Number 6276-97-7
SMILES CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4N(O4)C5=CC(=C(C=C5)/C=C/C6=C(C=C(C=C6)N7N(O7)C8=CC=C(C=C8)C9=NC1=C(S9)C=C(C=C1)C)S(=O)(=O)O)S(=O)(=O)O

Product Overview

5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfo-phenyl]vinyl]benzenesulfonic acid (CAS 6276-97-7), with molecular formula C42H30N6O8S4 and molecular weight 874.10 g/mol. IUPAC: 5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfophenyl]ethenyl]benzenesulfonic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of 5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfo-phenyl]vinyl]benzenesulfonic acid

XLogP
9.86944
TPSA (Topological Polar Surface Area)
180.52
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
10
Rotatable Bonds
10
Heavy Atoms
60
Complexity
3283.3843
Exact Mass
874.10077
Monoisotopic Mass
874.10077
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfo-phenyl]vinyl]benzenesulfonic acid

The XLogP value of 9.86944 indicates that 5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfo-phenyl]vinyl]benzenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 180.52 Ų indicates high polarity, suggesting 5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfo-phenyl]vinyl]benzenesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfo-phenyl]vinyl]benzenesulfonic acid has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of 5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfo-phenyl]vinyl]benzenesulfonic acid?

The CAS number of 5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfo-phenyl]vinyl]benzenesulfonic acid is 6276-97-7.

What is the molecular formula of 5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfo-phenyl]vinyl]benzenesulfonic acid?

The molecular formula of 5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfo-phenyl]vinyl]benzenesulfonic acid is C42H30N6O8S4.

What is the molecular weight of 5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfo-phenyl]vinyl]benzenesulfonic acid?

The molecular weight of 5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfo-phenyl]vinyl]benzenesulfonic acid is 874.10 g/mol.

Where can I buy 5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfo-phenyl]vinyl]benzenesulfonic acid?

You can request a quote for 5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfo-phenyl]vinyl]benzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for 5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfo-phenyl]vinyl]benzenesulfonic acid?

Yes, KEHONG BIO provides custom synthesis services for 5-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-[(E)-2-[4-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxadiaziridin-2-yl]-2-sulfo-phenyl]vinyl]benzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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Technical Blog & Research Resources

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